Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1' and Ligand = 'BDBM50329872'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50329872 (4-((2-amino-2-oxoethyl)(methyl)carbamoyl)-2-phenyl...) Show SMILES CN(CC(N)=O)C(=O)c1nc([nH]c1C(O)=O)-c1ccccc1 Show InChI InChI=1S/C14H14N4O4/c1-18(7-9(15)19)13(20)10-11(14(21)22)17-12(16-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,15,19)(H,16,17)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of Pin1 by PIn1 PPIase assay				Bioorg Med Chem Lett 20: 6483-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606
					More data for this Ligand-Target Pair				3D Structure (crystal)